SCHEMBL9495344

SCHEMBL9495344

O=C(O)C1=CC=CN(Nc2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
CDK9 P50750 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CYP1A2 P05177 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 3/20 0.32
NAPRT Q6XQN6 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK1 P28482 1/20 0.31
PTK2B Q14289 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5254243 0.88 MAPT (0.33) TP53SMN1; SMN2TSHREPHX1EPHX2
SCHEMBL9495288 0.84 NPC1 (0.40) SMN1; SMN2TSHRMEN1KMT2ANPC1
SCHEMBL9494589 0.84 NPC1 (0.45) SMN1; SMN2MEN1KMT2ACYP1A2NPC1
SCHEMBL9495354 0.81 HTT (0.44) SMN1; SMN2TSHRMEN1KMT2AALDH1A1
SCHEMBL9497253 0.81 MAPT (0.46) TP53SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL9498587 0.80 CBS (0.41) SMN1; SMN2TSHRMEN1KMT2AEPHX1
SCHEMBL9499116 0.77 MAPT (0.32) TP53SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL9496601 0.74 TSHR (0.49) SMN1; SMN2TSHRMEN1KMT2ANPC1
SCHEMBL5010680 0.73 TSHR (0.33) TSHRKMT2ATDP1HSD17B10MAPK1
SCHEMBL9499230 0.72 TSHR (0.39) SMN1; SMN2TSHRMEN1KMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed